Crystallography Open Database

Information card for entry 7208203

7208202 << 7208203 >> 7208204

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Coordinates	7208203.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Ba O22 S2
Calculated formula	C30 H34 Ba O22 S2
Title of publication	Four 3D metal‒organic frameworks derived from barium(ii) and isoflavonesulfonate ligands
Authors of publication	Zhang, Zun-Ting; Wang, Qiu-Ya; Li, Wu-Wu; Meng, Qing-Hua; Zhang, Xue-Ling
Journal of publication	CrystEngComm
Year of publication	2012
Journal volume	14
Journal issue	15
Pages of publication	5042
a	6.9077 ± 0.0019 Å
b	39.21 ± 0.011 Å
c	13.137 ± 0.004 Å
α	90°
β	95.785 ± 0.004°
γ	90°
Cell volume	3540 ± 1.8 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1
Residual factor for significantly intense reflections	0.0511
Weighted residual factors for significantly intense reflections	0.0853
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	0.928
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7208203.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7208203.cif
64220	2012-08-11	cif/ Adding structures of 7208202, 7208203, 7208204, 7208205 via cif-deposit CGI script.	7208203.cif